9,11-Seco-11-hydroxyestradiol
TL;DR: 9,11-Seco-11-hydroxyestradiol (CAS 56502-09-1) is a chemical compound with molecular formula C18H26O3 and molecular weight 290.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol
Also Known As: 9,11-Seco-11-hydroxyestradiol, 2-Naphthalenol, 5,6,7,8-tetrahydro-6-(3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl)-, (1S-(1-alpha(S*),2-beta,3-alpha))-, 6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol, 6-[3-Hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol
| Molecular Formula | C18H26O3 |
|---|---|
| Molecular Weight | 290.19 g/mol |
| LogP | 2.6567 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.1882 |
| Heavy Atoms | 21 |
| Complexity | 513.18494 |
Chemical Identifiers
| CAS Number | 56502-09-1 |
|---|---|
| SMILES | C[C@@]1([C@@H](CC[C@H]1O)C2CCC3=C(C2)C=CC(=C3)O)CCO |
Product Overview
9,11-Seco-11-hydroxyestradiol (CAS 56502-09-1), with molecular formula C18H26O3 and molecular weight 290.19 g/mol. IUPAC: 6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
Chemical Property Profile of 9,11-Seco-11-hydroxyestradiol
Property Insights of 9,11-Seco-11-hydroxyestradiol
The XLogP value of 2.6567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,11-Seco-11-hydroxyestradiol. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,11-Seco-11-hydroxyestradiol. Following Lipinski's Rule of Five, 9,11-Seco-11-hydroxyestradiol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,11-Seco-11-hydroxyestradiol?
The CAS number of 9,11-Seco-11-hydroxyestradiol is 56502-09-1.
What is the molecular formula of 9,11-Seco-11-hydroxyestradiol?
The molecular formula of 9,11-Seco-11-hydroxyestradiol is C18H26O3.
What is the molecular weight of 9,11-Seco-11-hydroxyestradiol?
The molecular weight of 9,11-Seco-11-hydroxyestradiol is 290.19 g/mol.
Where can I buy 9,11-Seco-11-hydroxyestradiol?
You can request a quote for 9,11-Seco-11-hydroxyestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,11-Seco-11-hydroxyestradiol?
Yes, KEHONG BIO provides custom synthesis services for 9,11-Seco-11-hydroxyestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.